ethyl 4-[[(4-tert-butylphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(4-tert-butylphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(4-tert-butylphenyl)methyl-(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(4-tert-butylphenyl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-tert-butylphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(4-tert-butylbenzyl)-(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C28H39N3O3S MolecularWeight: 497.69256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H39N3O3S/c1-5-34-26(32)23-9-13-25(14-10-23)29-27(35)31(16-6-15-30-17-19-33-20-18-30)21-22-7-11-24(12-8-22)28(2,3)4/h7-14H,5-6,15-21H2,1-4H3,(H,29,35)